2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine

C13H13F2N3 — CID 115147897

IUPAC2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-5-10(16)7-17-13(8)18(2)12-4-3-9(14)6-11(12)15/h3-7H,16H2,1-2H3
InChIKeyDATNPJQWPIHQHA-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.02
Rot. Bonds2

About 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine

2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147897) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147897
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-5-10(16)7-17-13(8)18(2)12-4-3-9(14)6-11(12)15/h3-7H,16H2,1-2H3
InChIKeyDATNPJQWPIHQHA-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
CID 115147909
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147920
5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
N-(2,4-difluorophenyl)-N-methylpyridin-2-amine
CID 59327751
2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 115147812
2-N,3-dimethyl-2-N-(4-methylpentan-2-yl)pyridine-2,5-diamine
CID 62477075

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine (CID 115147897) is 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)c1ccc(F)cc1F.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is DATNPJQWPIHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-5-10(16)7-17-13(8)18(2)12-4-3-9(14)6-11(12)15/h3-7H,16H2,1-2H3.
What are the key properties of 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 249.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).